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Results by year

Year	Number of Results
2000	2
2001	1
2004	4
2005	1
2007	1
2008	3
2009	9
2010	10
2011	19
2012	28
2013	34
2014	49
2015	43
2016	63
2017	119
2018	167
2019	133
2020	132
2021	123
2022	124
2023	56
2024	5

940 results

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Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.

Ekhteiari Salmas R, Unlu A, Bektaş M, Yurtsever M, Mestanoglu M, Durdagi S. Ekhteiari Salmas R, et al. J Biomol Struct Dyn. 2017 Jul;35(9):1899-1915. doi: 10.1080/07391102.2016.1199328. Epub 2016 Jul 17. J Biomol Struct Dyn. 2017. PMID: 27315035

Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations.

Katari SK, Natarajan P, Swargam S, Kanipakam H, Pasala C, Umamaheswari A. Katari SK, et al. J Recept Signal Transduct Res. 2016 Dec;36(6):558-571. doi: 10.3109/10799893.2016.1141955. Epub 2016 Feb 24. J Recept Signal Transduct Res. 2016. PMID: 26906522

A systematic methodology for large scale compound screening: A case study on the discovery of novel S1PL inhibitors.

Deniz U, Ozkirimli E, Ulgen KO. Deniz U, et al. J Mol Graph Model. 2016 Jan;63:110-24. doi: 10.1016/j.jmgm.2015.11.004. Epub 2015 Nov 12. J Mol Graph Model. 2016. PMID: 26724452

E-pharmacophore-based virtual screening to identify GSK-3β inhibitors.

Natarajan P, Priyadarshini V, Pradhan D, Manne M, Swargam S, Kanipakam H, Bhuma V, Amineni U. Natarajan P, et al. J Recept Signal Transduct Res. 2016 Oct;36(5):445-58. doi: 10.3109/10799893.2015.1122043. Epub 2015 Dec 20. J Recept Signal Transduct Res. 2016. PMID: 27305963

In silico identification of AChE and PARP-1 dual-targeted inhibitors of Alzheimer's disease.

Hu XM, Dong W, Cui ZW, Gao CZ, Yu ZJ, Yuan Q, Min ZL. Hu XM, et al. J Mol Model. 2018 Jun 5;24(7):151. doi: 10.1007/s00894-018-3696-6. J Mol Model. 2018. PMID: 29869722

Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking and Biological Evaluation for Identification of Potential Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors.

Zhou Y, Tang S, Chen T, Niu MM. Zhou Y, et al. Molecules. 2019 Nov 22;24(23):4258. doi: 10.3390/molecules24234258. Molecules. 2019. PMID: 31766720 Free PMC article.

High-throughput virtual screening with e-pharmacophore and molecular simulations study in the designing of pancreatic lipase inhibitors.

Veeramachaneni GK, Raj KK, Chalasani LM, Bondili JS, Talluri VR. Veeramachaneni GK, et al. Drug Des Devel Ther. 2015 Aug 6;9:4397-412. doi: 10.2147/DDDT.S84052. eCollection 2015. Drug Des Devel Ther. 2015. PMID: 26273199 Free PMC article.

Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach.

Baptista SJ, Silva MM, Moroni E, Meli M, Colombo G, Dinis TC, Salvador JA. Baptista SJ, et al. PLoS One. 2017 Jan 25;12(1):e0170846. doi: 10.1371/journal.pone.0170846. eCollection 2017. PLoS One. 2017. PMID: 28122037 Free PMC article.

Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.

Hu Y, Zhou L, Zhu X, Dai D, Bao Y, Qiu Y. Hu Y, et al. J Biomol Struct Dyn. 2019 Jul;37(10):2703-2715. doi: 10.1080/07391102.2018.1495576. Epub 2018 Dec 24. J Biomol Struct Dyn. 2019. PMID: 30052133

Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies.

Mirza SB, Lee RCH, Chu JJH, Salmas RE, Mavromoustakos T, Durdagi S. Mirza SB, et al. J Mol Graph Model. 2018 Jan;79:88-102. doi: 10.1016/j.jmgm.2017.10.010. Epub 2017 Oct 24. J Mol Graph Model. 2018. PMID: 29156382

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